# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 2100576'
loop_
_audit_author_name
_audit_author_address
'David Herbert'
;University of Manitoba
Canada
;
_audit_update_record             
;
2021-07-30 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;
_audit_creation_date             2021-07-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H17 Cl N2 O Pt'
_chemical_formula_sum            'C19 H17 Cl N2 O Pt'
_chemical_formula_weight         519.89
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2499(5)
_cell_length_b                   11.5853(6)
_cell_length_c                   15.3470(8)
_cell_angle_alpha                90
_cell_angle_beta                 103.623(2)
_cell_angle_gamma                90
_cell_volume                     1598.36(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      24.79
_cell_measurement_theta_min      2.73
_shelx_estimated_absorpt_T_max   0.841
_shelx_estimated_absorpt_T_min   0.328
_exptl_absorpt_coefficient_mu    8.954
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.4681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1303 before and 0.0835 after correction.
The Ratio of minimum to maximum transmission is 0.6282.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.160
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_radiation_monochromator  'TRIUMPH curved--crystal'
_diffrn_reflns_av_R_equivalents  0.0642
_diffrn_reflns_av_unetI/netI     0.0330
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23441
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_reduction_process narrow--frame
_diffrn_reflns_theta_full        24.790
_diffrn_reflns_theta_max         24.790
_diffrn_reflns_theta_min         2.731
_diffrn_ambient_temperature      150.0
_diffrn_ambient_temp_esd         2.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 QUEST ECO CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine--focus tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2422
_reflns_number_total             2739
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.745
_refine_diff_density_min         -1.521
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         2739
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0351
_refine_ls_restrained_S_all      1.121
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+22.4255P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0754
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C13(H13), C11(H11), C16(H16), C6(H6), C3(H3), C4(H4), C5(H5)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.57275(3) 0.60549(2) 0.42994(2) 0.01667(11) Uani 1 1 d . . . . .
Cl1 Cl 0.4818(2) 0.53358(18) 0.28664(13) 0.0302(5) Uani 1 1 d . . . . .
O1 O 0.4277(6) 0.7331(5) 0.3933(4) 0.0237(12) Uani 1 1 d . . . . .
N2 N 0.6597(6) 0.6640(5) 0.5535(4) 0.0156(13) Uani 1 1 d . . . . .
N1 N 0.7184(7) 0.4785(5) 0.4679(4) 0.0182(14) Uani 1 1 d . . . . .
C15 C 0.6013(8) 0.7513(6) 0.5889(5) 0.0180(16) Uani 1 1 d . . . . .
C10 C 0.7873(8) 0.5987(6) 0.5979(5) 0.0162(15) Uani 1 1 d . . . . .
C9 C 0.8150(8) 0.4990(6) 0.5522(5) 0.0158(15) Uani 1 1 d . . . . .
C1 C 0.7325(8) 0.3863(6) 0.4220(5) 0.0177(15) Uani 1 1 d . . . . .
H1 H 0.662383 0.372564 0.366850 0.021 Uiso 1 1 calc R U . . .
C8 C 0.9361(8) 0.4255(6) 0.5850(5) 0.0184(16) Uani 1 1 d . . . . .
C13 C 1.0346(8) 0.4578(7) 0.6648(5) 0.0199(17) Uani 1 1 d . . . . .
H13 H 1.116143 0.408726 0.689707 0.024 Uiso 1 1 calc R U . . .
C11 C 0.8919(8) 0.6288(7) 0.6746(5) 0.0204(17) Uani 1 1 d . . . . .
H11 H 0.879298 0.697907 0.705305 0.025 Uiso 1 1 calc R U . . .
C17 C 0.4135(8) 0.8133(7) 0.4488(5) 0.0227(17) Uani 1 1 d . . . . .
C12 C 1.0175(9) 0.5582(7) 0.7082(5) 0.0221(17) Uani 1 1 d . . . . .
C7 C 0.9545(8) 0.3237(6) 0.5343(5) 0.0184(16) Uani 1 1 d . . . . .
C16 C 0.4886(8) 0.8204(7) 0.5368(6) 0.0254(18) Uani 1 1 d . . . . .
H16 H 0.459267 0.883398 0.568393 0.030 Uiso 1 1 calc R U . . .
C14 C 0.6418(10) 0.7797(8) 0.6878(6) 0.031(2) Uani 1 1 d . . . . .
H14A H 0.666892 0.708521 0.722569 0.047 Uiso 1 1 calc R U . . .
H14B H 0.557185 0.817254 0.704424 0.047 Uiso 1 1 calc R U . . .
H14C H 0.727640 0.831902 0.700656 0.047 Uiso 1 1 calc R U . . .
C6 C 1.0703(9) 0.2439(7) 0.5598(6) 0.0253(18) Uani 1 1 d . . . . .
H6 H 1.143030 0.254957 0.614239 0.030 Uiso 1 1 calc R U . . .
C2 C 0.8502(8) 0.3049(7) 0.4520(5) 0.0200(16) Uani 1 1 d . . . . .
C18 C 0.2972(9) 0.9009(7) 0.4087(6) 0.0288(19) Uani 1 1 d . . . . .
H18A H 0.315935 0.929609 0.352245 0.043 Uiso 1 1 calc R U . . .
H18B H 0.301300 0.965414 0.450514 0.043 Uiso 1 1 calc R U . . .
H18C H 0.198625 0.865028 0.397032 0.043 Uiso 1 1 calc R U . . .
C3 C 0.8620(9) 0.2061(7) 0.3996(5) 0.0238(18) Uani 1 1 d . . . . .
H3 H 0.789809 0.192296 0.345336 0.029 Uiso 1 1 calc R U . . .
C19 C 1.1304(9) 0.5942(8) 0.7916(5) 0.0279(19) Uani 1 1 d . . . . .
H19A H 1.108505 0.555680 0.843843 0.042 Uiso 1 1 calc R U . . .
H19B H 1.125944 0.678010 0.798973 0.042 Uiso 1 1 calc R U . . .
H19C H 1.230165 0.572227 0.786020 0.042 Uiso 1 1 calc R U . . .
C4 C 0.9764(9) 0.1313(6) 0.4268(6) 0.0246(18) Uani 1 1 d . . . . .
H4 H 0.985814 0.066042 0.391110 0.030 Uiso 1 1 calc R U . . .
C5 C 1.0801(9) 0.1504(7) 0.5072(6) 0.0270(19) Uani 1 1 d . . . . .
H5 H 1.159461 0.097182 0.526089 0.032 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.3166(19) . ?
Pt1 O1 1.987(5) . ?
Pt1 N2 1.997(6) . ?
Pt1 N1 1.987(6) . ?
O1 C17 1.288(10) . ?
N2 C15 1.321(9) . ?
N2 C10 1.433(9) . ?
N1 C9 1.409(9) . ?
N1 C1 1.303(10) . ?
C15 C16 1.406(11) . ?
C15 C14 1.512(11) . ?
C10 C9 1.406(10) . ?
C10 C11 1.381(10) . ?
C9 C8 1.403(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.432(10) . ?
C8 C13 1.395(10) . ?
C8 C7 1.445(11) . ?
C13 H13 0.9500 . ?
C13 C12 1.367(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.415(11) . ?
C17 C16 1.368(11) . ?
C17 C18 1.502(11) . ?
C12 C19 1.507(11) . ?
C7 C6 1.399(11) . ?
C7 C2 1.414(10) . ?
C16 H16 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C6 H6 0.9500 . ?
C6 C5 1.366(11) . ?
C2 C3 1.418(11) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.355(11) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C4 H4 0.9500 . ?
C4 C5 1.390(12) . ?
C5 H5 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Pt1 Cl1 85.91(16) . . ?
O1 Pt1 N2 96.3(2) . . ?
O1 Pt1 N1 179.4(2) . . ?
N2 Pt1 Cl1 177.45(17) . . ?
N1 Pt1 Cl1 94.66(18) . . ?
N1 Pt1 N2 83.1(2) . . ?
C17 O1 Pt1 121.1(5) . . ?
C15 N2 Pt1 122.5(5) . . ?
C15 N2 C10 125.4(6) . . ?
C10 N2 Pt1 112.0(5) . . ?
C9 N1 Pt1 112.6(5) . . ?
C1 N1 Pt1 126.6(5) . . ?
C1 N1 C9 120.8(6) . . ?
N2 C15 C16 121.5(7) . . ?
N2 C15 C14 123.4(7) . . ?
C16 C15 C14 115.0(7) . . ?
C9 C10 N2 115.1(6) . . ?
C11 C10 N2 127.2(7) . . ?
C11 C10 C9 117.4(7) . . ?
C10 C9 N1 116.5(6) . . ?
C8 C9 N1 120.5(7) . . ?
C8 C9 C10 122.9(7) . . ?
N1 C1 H1 119.0 . . ?
N1 C1 C2 122.1(7) . . ?
C2 C1 H1 119.0 . . ?
C9 C8 C7 119.2(7) . . ?
C13 C8 C9 117.0(7) . . ?
C13 C8 C7 123.8(7) . . ?
C8 C13 H13 119.0 . . ?
C12 C13 C8 122.0(7) . . ?
C12 C13 H13 119.0 . . ?
C10 C11 H11 119.5 . . ?
C10 C11 C12 121.0(7) . . ?
C12 C11 H11 119.5 . . ?
O1 C17 C16 126.1(7) . . ?
O1 C17 C18 113.0(7) . . ?
C16 C17 C18 120.8(8) . . ?
C13 C12 C11 119.6(7) . . ?
C13 C12 C19 120.8(7) . . ?
C11 C12 C19 119.6(7) . . ?
C6 C7 C8 124.6(7) . . ?
C6 C7 C2 117.7(7) . . ?
C2 C7 C8 117.7(7) . . ?
C15 C16 H16 114.2 . . ?
C17 C16 C15 131.6(8) . . ?
C17 C16 H16 114.2 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 C6 H6 119.6 . . ?
C5 C6 C7 120.8(8) . . ?
C5 C6 H6 119.6 . . ?
C7 C2 C1 119.5(7) . . ?
C7 C2 C3 120.2(7) . . ?
C3 C2 C1 120.2(7) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0(7) . . ?
C4 C3 H3 120.0 . . ?
C12 C19 H19A 109.5 . . ?
C12 C19 H19B 109.5 . . ?
C12 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.8(7) . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 121.5(8) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 O1 C17 C16 -1.9(11) . . . . ?
Pt1 O1 C17 C18 -179.4(5) . . . . ?
Pt1 N2 C15 C16 -10.5(10) . . . . ?
Pt1 N2 C15 C14 165.4(6) . . . . ?
Pt1 N2 C10 C9 -7.9(7) . . . . ?
Pt1 N2 C10 C11 165.2(6) . . . . ?
Pt1 N1 C9 C10 4.4(8) . . . . ?
Pt1 N1 C9 C8 -172.5(5) . . . . ?
Pt1 N1 C1 C2 174.1(5) . . . . ?
O1 C17 C16 C15 3.5(15) . . . . ?
N2 C15 C16 C17 3.7(14) . . . . ?
N2 C10 C9 N1 2.3(9) . . . . ?
N2 C10 C9 C8 179.2(7) . . . . ?
N2 C10 C11 C12 -176.4(7) . . . . ?
N1 C9 C8 C13 173.9(7) . . . . ?
N1 C9 C8 C7 -4.3(10) . . . . ?
N1 C1 C2 C7 0.5(11) . . . . ?
N1 C1 C2 C3 -179.5(7) . . . . ?
C15 N2 C10 C9 170.5(7) . . . . ?
C15 N2 C10 C11 -16.4(12) . . . . ?
C10 N2 C15 C16 171.3(7) . . . . ?
C10 N2 C15 C14 -12.9(11) . . . . ?
C10 C9 C8 C13 -2.8(11) . . . . ?
C10 C9 C8 C7 178.9(7) . . . . ?
C10 C11 C12 C13 -0.9(12) . . . . ?
C10 C11 C12 C19 179.3(7) . . . . ?
C9 N1 C1 C2 -3.4(11) . . . . ?
C9 C10 C11 C12 -3.4(11) . . . . ?
C9 C8 C13 C12 -1.8(11) . . . . ?
C9 C8 C7 C6 179.9(7) . . . . ?
C9 C8 C7 C2 1.5(10) . . . . ?
C1 N1 C9 C10 -177.7(7) . . . . ?
C1 N1 C9 C8 5.4(10) . . . . ?
C1 C2 C3 C4 177.8(7) . . . . ?
C8 C13 C12 C11 3.6(12) . . . . ?
C8 C13 C12 C19 -176.6(7) . . . . ?
C8 C7 C6 C5 -179.4(7) . . . . ?
C8 C7 C2 C1 0.4(10) . . . . ?
C8 C7 C2 C3 -179.6(7) . . . . ?
C13 C8 C7 C6 1.8(12) . . . . ?
C13 C8 C7 C2 -176.7(7) . . . . ?
C11 C10 C9 N1 -171.5(6) . . . . ?
C11 C10 C9 C8 5.3(11) . . . . ?
C7 C8 C13 C12 176.4(7) . . . . ?
C7 C6 C5 C4 0.3(12) . . . . ?
C7 C2 C3 C4 -2.1(12) . . . . ?
C14 C15 C16 C17 -172.5(8) . . . . ?
C6 C7 C2 C1 -178.1(7) . . . . ?
C6 C7 C2 C3 1.9(11) . . . . ?
C2 C7 C6 C5 -1.0(11) . . . . ?
C2 C3 C4 C5 1.4(12) . . . . ?
C18 C17 C16 C15 -179.2(8) . . . . ?
C3 C4 C5 C6 -0.5(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2100577'
loop_
_audit_author_name
_audit_author_address
'David Herbert'
;University of Manitoba
Canada
;
_audit_update_record             
;
2021-07-30 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;
_audit_creation_date             2021-07-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H19 Cl N2 O Pt, C H Cl3'
_chemical_formula_sum            'C21 H20 Cl4 N2 O Pt'
_chemical_formula_weight         653.28
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0564(7)
_cell_length_b                   14.0350(9)
_cell_length_c                   16.4321(10)
_cell_angle_alpha                113.018(2)
_cell_angle_beta                 99.705(2)
_cell_angle_gamma                100.551(2)
_cell_volume                     2224.4(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9822
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.58
_shelx_estimated_absorpt_T_max   0.686
_shelx_estimated_absorpt_T_min   0.199
_exptl_absorpt_coefficient_mu    6.804
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1362 before and 0.0598 after correction.
The Ratio of minimum to maximum transmission is 0.5506.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_radiation_monochromator  'TRIUMPH curved--crystal'
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            61734
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_reduction_process narrow--frame
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.591
_diffrn_reflns_theta_min         2.550
_diffrn_ambient_temperature      150.0
_diffrn_ambient_temp_esd         2.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 QUEST ECO CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine--focus tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10931
_reflns_number_total             13610
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.784
_refine_diff_density_min         -1.569
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     531
_refine_ls_number_reflns         13610
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0335
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+9.7058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0652
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C42(H42), C41(H41)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C36(H36), C33(H33), C16(H16), C13(H13), C11(H11), C26(H26), C25(H25),
 C5(H5), C31(H31), C3(H3), C23(H23), C4(H4), C24(H24)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C14(H14A,H14B,H14C), C40(H40A,H40B,H40C), C39(H39A,H39B,
 H39C), C19(H19A,H19B,H19C), C34(H34A,H34B,H34C), C18(H18A,H18B,H18C), C38(H38A,
 H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt2 Pt 0.26481(2) 0.77801(2) 0.61269(2) 0.02180(4) Uani 1 1 d . . . . .
Pt1 Pt 0.53605(2) 0.71627(2) 0.83676(2) 0.02045(4) Uani 1 1 d . . . . .
Cl1 Cl 0.75660(9) 0.76647(8) 0.85872(7) 0.0278(2) Uani 1 1 d . . . . .
Cl2 Cl 0.40931(10) 0.76655(9) 0.52337(8) 0.0331(2) Uani 1 1 d . . . . .
Cl8 Cl 0.36269(15) 0.98033(13) 0.41218(10) 0.0570(4) Uani 1 1 d . . . . .
Cl4 Cl 0.67940(15) 0.53515(13) 1.00852(10) 0.0549(3) Uani 1 1 d . . . . .
Cl7 Cl 0.2106(2) 0.75955(14) 0.29907(12) 0.0711(5) Uani 1 1 d . . . . .
Cl6 Cl 0.09604(17) 0.91896(15) 0.40202(16) 0.0788(5) Uani 1 1 d . . . . .
Cl3 Cl 0.8700(2) 0.5160(3) 0.9115(2) 0.1311(12) Uani 1 1 d . . . . .
N1 N 0.4965(3) 0.8528(3) 0.8418(2) 0.0213(6) Uani 1 1 d . . . . .
O2 O 0.2873(3) 0.9228(2) 0.6150(2) 0.0328(7) Uani 1 1 d . . . . .
N2 N 0.3575(3) 0.6825(3) 0.8456(2) 0.0223(6) Uani 1 1 d . . . . .
O1 O 0.5621(3) 0.5742(2) 0.8216(2) 0.0282(6) Uani 1 1 d . . . . .
N3 N 0.2329(3) 0.6305(3) 0.6111(2) 0.0204(6) Uani 1 1 d . . . . .
Cl5 Cl 0.9051(3) 0.7058(3) 1.0786(2) 0.1663(18) Uani 1 1 d . . . . .
N4 N 0.1249(3) 0.7880(3) 0.6757(2) 0.0218(6) Uani 1 1 d . . . . .
C9 C 0.3942(4) 0.8683(3) 0.8807(2) 0.0208(7) Uani 1 1 d . . . . .
C10 C 0.3218(4) 0.7787(3) 0.8870(3) 0.0215(7) Uani 1 1 d . . . . .
C1 C 0.5534(4) 0.9250(3) 0.8178(3) 0.0226(7) Uani 1 1 d . . . . .
C29 C 0.1117(3) 0.6009(3) 0.6237(2) 0.0190(7) Uani 1 1 d . . . . .
C30 C 0.0525(3) 0.6839(3) 0.6586(2) 0.0195(7) Uani 1 1 d . . . . .
C21 C 0.3004(4) 0.5603(3) 0.5924(2) 0.0208(7) Uani 1 1 d . . . . .
C6 C 0.4202(4) 1.1561(3) 0.9280(3) 0.0299(9) Uani 1 1 d . . . . .
H6 H 0.357421 1.172653 0.960225 0.036 Uiso 1 1 calc R U . . .
C15 C 0.2888(4) 0.5827(3) 0.8224(3) 0.0252(8) Uani 1 1 d . . . . .
C8 C 0.3648(4) 0.9672(3) 0.9120(3) 0.0224(7) Uani 1 1 d . . . . .
C35 C 0.0999(4) 0.8804(3) 0.7201(3) 0.0256(8) Uani 1 1 d . . . . .
C2 C 0.5282(4) 1.0285(3) 0.8464(3) 0.0239(8) Uani 1 1 d . . . . .
C7 C 0.4370(4) 1.0523(3) 0.8964(3) 0.0245(8) Uani 1 1 d . . . . .
C28 C 0.0517(3) 0.4945(3) 0.6032(3) 0.0210(7) Uani 1 1 d . . . . .
C36 C 0.1589(4) 0.9764(4) 0.7171(3) 0.0307(9) Uani 1 1 d . . . . .
H36 H 0.140156 1.039182 0.756395 0.037 Uiso 1 1 calc R U . . .
C33 C -0.0722(3) 0.4703(3) 0.6139(3) 0.0222(7) Uani 1 1 d . . . . .
H33 H -0.114717 0.398160 0.599471 0.027 Uiso 1 1 calc R U . . .
C16 C 0.3398(4) 0.4939(3) 0.7920(3) 0.0290(9) Uani 1 1 d . . . . .
H16 H 0.279450 0.425330 0.766444 0.035 Uiso 1 1 calc R U . . .
C20 C 0.6430(4) 0.8981(3) 0.7586(3) 0.0273(8) Uani 1 1 d . . . . .
H20A H 0.729127 0.945398 0.792890 0.041 Uiso 1 1 calc R U . . .
H20B H 0.614721 0.908292 0.703553 0.041 Uiso 1 1 calc R U . . .
H20C H 0.643720 0.822935 0.740818 0.041 Uiso 1 1 calc R U . . .
C27 C 0.1189(4) 0.4139(3) 0.5703(3) 0.0224(7) Uani 1 1 d . . . . .
C22 C 0.2453(4) 0.4486(3) 0.5684(3) 0.0222(7) Uani 1 1 d . . . . .
C14 C 0.1520(4) 0.5573(4) 0.8254(3) 0.0302(9) Uani 1 1 d . . . . .
H14A H 0.148644 0.567929 0.887449 0.045 Uiso 1 1 calc R U . . .
H14B H 0.108311 0.482287 0.781984 0.045 Uiso 1 1 calc R U . . .
H14C H 0.109726 0.605096 0.808551 0.045 Uiso 1 1 calc R U . . .
C13 C 0.2687(4) 0.9791(3) 0.9585(3) 0.0267(8) Uani 1 1 d . . . . .
H13 H 0.248578 1.046011 0.981372 0.032 Uiso 1 1 calc R U . . .
C40 C 0.4386(4) 0.5971(4) 0.5994(3) 0.0271(8) Uani 1 1 d . . . . .
H40A H 0.452198 0.568985 0.537879 0.041 Uiso 1 1 calc R U . . .
H40B H 0.487915 0.570428 0.636949 0.041 Uiso 1 1 calc R U . . .
H40C H 0.466484 0.675916 0.627807 0.041 Uiso 1 1 calc R U . . .
C32 C -0.1325(4) 0.5499(3) 0.6451(3) 0.0247(8) Uani 1 1 d . . . . .
C11 C 0.2296(4) 0.7943(3) 0.9351(3) 0.0264(8) Uani 1 1 d . . . . .
H11 H 0.183455 0.736322 0.943690 0.032 Uiso 1 1 calc R U . . .
C37 C 0.2393(4) 0.9928(3) 0.6660(3) 0.0320(9) Uani 1 1 d . . . . .
C26 C 0.0645(4) 0.3035(3) 0.5420(3) 0.0285(8) Uani 1 1 d . . . . .
H26 H -0.020563 0.279071 0.543856 0.034 Uiso 1 1 calc R U . . .
C17 C 0.4639(4) 0.4919(3) 0.7939(3) 0.0287(9) Uani 1 1 d . . . . .
C25 C 0.1334(5) 0.2307(4) 0.5119(3) 0.0353(10) Uani 1 1 d . . . . .
H25 H 0.094838 0.156264 0.492022 0.042 Uiso 1 1 calc R U . . .
C12 C 0.2038(4) 0.8951(4) 0.9714(3) 0.0282(8) Uani 1 1 d . . . . .
C5 C 0.4941(5) 1.2340(4) 0.9126(3) 0.0370(11) Uani 1 1 d . . . . .
H5 H 0.483212 1.304523 0.935684 0.044 Uiso 1 1 calc R U . . .
C39 C -0.2650(4) 0.5240(4) 0.6558(3) 0.0347(10) Uani 1 1 d . . . . .
H39A H -0.305955 0.446666 0.619603 0.052 Uiso 1 1 calc R U . . .
H39B H -0.314646 0.564562 0.634140 0.052 Uiso 1 1 calc R U . . .
H39C H -0.260825 0.543691 0.720567 0.052 Uiso 1 1 calc R U . . .
C31 C -0.0702(3) 0.6562(3) 0.6664(3) 0.0232(8) Uani 1 1 d . . . . .
H31 H -0.113095 0.710432 0.686560 0.028 Uiso 1 1 calc R U . . .
C19 C 0.1026(4) 0.9080(4) 1.0228(3) 0.0374(10) Uani 1 1 d . . . . .
H19A H 0.104722 0.984241 1.052043 0.056 Uiso 1 1 calc R U . . .
H19B H 0.118826 0.882088 1.069888 0.056 Uiso 1 1 calc R U . . .
H19C H 0.018565 0.866225 0.979985 0.056 Uiso 1 1 calc R U . . .
C34 C 0.0059(4) 0.8914(4) 0.7782(3) 0.0333(10) Uani 1 1 d . . . . .
H34A H -0.079717 0.876527 0.739830 0.050 Uiso 1 1 calc R U . . .
H34B H 0.031015 0.964841 0.827390 0.050 Uiso 1 1 calc R U . . .
H34C H 0.005616 0.840075 0.804939 0.050 Uiso 1 1 calc R U . . .
C3 C 0.6006(4) 1.1100(3) 0.8300(3) 0.0307(9) Uani 1 1 d . . . . .
H3 H 0.660826 1.094334 0.795139 0.037 Uiso 1 1 calc R U . . .
C23 C 0.3146(4) 0.3718(4) 0.5388(3) 0.0298(9) Uani 1 1 d . . . . .
H23 H 0.400910 0.394949 0.538914 0.036 Uiso 1 1 calc R U . . .
C42 C 0.2362(5) 0.8772(4) 0.4005(4) 0.0453(12) Uani 1 1 d . . . . .
H42 H 0.257546 0.859848 0.453868 0.054 Uiso 1 1 calc R U . . .
C18 C 0.4974(5) 0.3865(3) 0.7608(4) 0.0385(11) Uani 1 1 d . . . . .
H18A H 0.510811 0.367554 0.699547 0.058 Uiso 1 1 calc R U . . .
H18B H 0.427601 0.330131 0.758017 0.058 Uiso 1 1 calc R U . . .
H18C H 0.575717 0.393100 0.803209 0.058 Uiso 1 1 calc R U . . .
C4 C 0.5841(5) 1.2116(4) 0.8642(3) 0.0390(11) Uani 1 1 d . . . . .
H4 H 0.634639 1.266648 0.854486 0.047 Uiso 1 1 calc R U . . .
C38 C 0.2801(6) 1.1014(4) 0.6662(4) 0.0464(13) Uani 1 1 d . . . . .
H38A H 0.373492 1.127444 0.685575 0.070 Uiso 1 1 calc R U . . .
H38B H 0.244550 1.152245 0.708834 0.070 Uiso 1 1 calc R U . . .
H38C H 0.248959 1.094989 0.604315 0.070 Uiso 1 1 calc R U . . .
C41 C 0.7966(6) 0.6046(6) 0.9781(5) 0.0607(17) Uani 1 1 d . . . . .
H41 H 0.755934 0.638633 0.941625 0.073 Uiso 1 1 calc R U . . .
C24 C 0.2585(5) 0.2642(4) 0.5099(3) 0.0355(10) Uani 1 1 d . . . . .
H24 H 0.305103 0.213058 0.488757 0.043 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt2 Cl2 2.3308(10) . ?
Pt2 O2 1.986(3) . ?
Pt2 N3 2.025(3) . ?
Pt2 N4 1.998(3) . ?
Pt1 Cl1 2.3341(10) . ?
Pt1 N1 2.016(3) . ?
Pt1 N2 1.987(3) . ?
Pt1 O1 1.992(3) . ?
Cl8 C42 1.744(6) . ?
Cl4 C41 1.737(6) . ?
Cl7 C42 1.761(6) . ?
Cl6 C42 1.756(6) . ?
Cl3 C41 1.734(8) . ?
N1 C9 1.400(5) . ?
N1 C1 1.319(5) . ?
O2 C37 1.283(5) . ?
N2 C10 1.418(5) . ?
N2 C15 1.333(5) . ?
O1 C17 1.297(5) . ?
N3 C29 1.403(4) . ?
N3 C21 1.315(5) . ?
Cl5 C41 1.748(7) . ?
N4 C30 1.425(5) . ?
N4 C35 1.322(5) . ?
C9 C10 1.412(5) . ?
C9 C8 1.399(5) . ?
C10 C11 1.390(5) . ?
C1 C2 1.438(5) . ?
C1 C20 1.498(6) . ?
C29 C30 1.413(5) . ?
C29 C28 1.398(5) . ?
C30 C31 1.383(5) . ?
C21 C22 1.440(6) . ?
C21 C40 1.490(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.403(6) . ?
C6 C5 1.373(6) . ?
C15 C16 1.410(6) . ?
C15 C14 1.503(6) . ?
C8 C7 1.445(6) . ?
C8 C13 1.408(6) . ?
C35 C36 1.409(6) . ?
C35 C34 1.514(6) . ?
C2 C7 1.411(6) . ?
C2 C3 1.414(6) . ?
C28 C33 1.407(5) . ?
C28 C27 1.446(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.369(6) . ?
C33 H33 0.9500 . ?
C33 C32 1.377(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.373(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C27 C22 1.403(5) . ?
C27 C26 1.407(6) . ?
C22 C23 1.415(6) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C12 1.373(6) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C32 C39 1.500(5) . ?
C32 C31 1.399(6) . ?
C11 H11 0.9500 . ?
C11 C12 1.409(6) . ?
C37 C38 1.507(6) . ?
C26 H26 0.9500 . ?
C26 C25 1.373(6) . ?
C17 C18 1.504(6) . ?
C25 H25 0.9500 . ?
C25 C24 1.386(7) . ?
C12 C19 1.507(6) . ?
C5 H5 0.9500 . ?
C5 C4 1.381(7) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C31 H31 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C4 1.374(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(6) . ?
C42 H42 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C4 H4 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C41 H41 1.0000 . ?
C24 H24 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Pt2 Cl2 81.97(9) . . ?
O2 Pt2 N3 177.09(13) . . ?
O2 Pt2 N4 95.03(13) . . ?
N3 Pt2 Cl2 100.60(9) . . ?
N4 Pt2 Cl2 172.48(9) . . ?
N4 Pt2 N3 82.26(13) . . ?
N1 Pt1 Cl1 99.63(9) . . ?
N2 Pt1 Cl1 168.24(10) . . ?
N2 Pt1 N1 81.87(13) . . ?
N2 Pt1 O1 95.47(13) . . ?
O1 Pt1 Cl1 83.88(9) . . ?
O1 Pt1 N1 174.83(12) . . ?
C9 N1 Pt1 109.8(2) . . ?
C1 N1 Pt1 130.2(3) . . ?
C1 N1 C9 119.9(3) . . ?
C37 O2 Pt2 121.7(3) . . ?
C10 N2 Pt1 110.3(2) . . ?
C15 N2 Pt1 122.8(3) . . ?
C15 N2 C10 126.6(3) . . ?
C17 O1 Pt1 119.6(3) . . ?
C29 N3 Pt2 109.8(2) . . ?
C21 N3 Pt2 130.5(3) . . ?
C21 N3 C29 119.4(3) . . ?
C30 N4 Pt2 111.0(2) . . ?
C35 N4 Pt2 122.3(3) . . ?
C35 N4 C30 126.4(3) . . ?
N1 C9 C10 116.4(3) . . ?
C8 C9 N1 122.1(3) . . ?
C8 C9 C10 121.5(4) . . ?
C9 C10 N2 114.4(3) . . ?
C11 C10 N2 127.4(4) . . ?
C11 C10 C9 118.1(4) . . ?
N1 C1 C2 120.6(4) . . ?
N1 C1 C20 119.7(3) . . ?
C2 C1 C20 119.7(3) . . ?
N3 C29 C30 117.0(3) . . ?
C28 C29 N3 121.9(3) . . ?
C28 C29 C30 121.2(3) . . ?
C29 C30 N4 114.8(3) . . ?
C31 C30 N4 126.8(3) . . ?
C31 C30 C29 118.2(3) . . ?
N3 C21 C22 121.6(3) . . ?
N3 C21 C40 119.8(4) . . ?
C22 C21 C40 118.6(3) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C5 C6 C7 120.3(4) . . ?
N2 C15 C16 121.8(4) . . ?
N2 C15 C14 122.5(4) . . ?
C16 C15 C14 115.7(4) . . ?
C9 C8 C7 118.1(4) . . ?
C9 C8 C13 118.3(4) . . ?
C13 C8 C7 123.6(4) . . ?
N4 C35 C36 122.6(4) . . ?
N4 C35 C34 122.7(4) . . ?
C36 C35 C34 114.7(4) . . ?
C7 C2 C1 120.4(4) . . ?
C7 C2 C3 119.2(4) . . ?
C3 C2 C1 120.2(4) . . ?
C6 C7 C8 123.3(4) . . ?
C6 C7 C2 119.0(4) . . ?
C2 C7 C8 117.7(4) . . ?
C29 C28 C33 118.6(3) . . ?
C29 C28 C27 118.4(3) . . ?
C33 C28 C27 123.0(4) . . ?
C35 C36 H36 115.2 . . ?
C37 C36 C35 129.6(4) . . ?
C37 C36 H36 115.2 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.8(4) . . ?
C32 C33 H33 119.6 . . ?
C15 C16 H16 115.2 . . ?
C17 C16 C15 129.5(4) . . ?
C17 C16 H16 115.2 . . ?
C1 C20 H20A 109.5 . . ?
C1 C20 H20B 109.5 . . ?
C1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C27 C28 117.9(4) . . ?
C22 C27 C26 118.9(4) . . ?
C26 C27 C28 123.2(4) . . ?
C27 C22 C21 119.7(3) . . ?
C27 C22 C23 119.1(4) . . ?
C23 C22 C21 121.1(4) . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C13 H13 119.6 . . ?
C12 C13 C8 120.8(4) . . ?
C12 C13 H13 119.6 . . ?
C21 C40 H40A 109.5 . . ?
C21 C40 H40B 109.5 . . ?
C21 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C33 C32 C39 120.8(4) . . ?
C33 C32 C31 119.7(3) . . ?
C31 C32 C39 119.4(4) . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.7(4) . . ?
C12 C11 H11 119.7 . . ?
O2 C37 C36 126.3(4) . . ?
O2 C37 C38 113.2(4) . . ?
C36 C37 C38 120.4(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 C27 120.5(4) . . ?
C25 C26 H26 119.7 . . ?
O1 C17 C16 126.8(4) . . ?
O1 C17 C18 112.9(4) . . ?
C16 C17 C18 120.3(4) . . ?
C26 C25 H25 119.5 . . ?
C26 C25 C24 121.0(4) . . ?
C24 C25 H25 119.5 . . ?
C13 C12 C11 120.2(4) . . ?
C13 C12 C19 121.0(4) . . ?
C11 C12 C19 118.8(4) . . ?
C6 C5 H5 119.5 . . ?
C6 C5 C4 121.1(4) . . ?
C4 C5 H5 119.5 . . ?
C32 C39 H39A 109.5 . . ?
C32 C39 H39B 109.5 . . ?
C32 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C30 C31 C32 121.4(4) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 H31 119.3 . . ?
C12 C19 H19A 109.5 . . ?
C12 C19 H19B 109.5 . . ?
C12 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(4) . . ?
C4 C3 H3 119.9 . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.8(4) . . ?
C24 C23 H23 119.6 . . ?
Cl8 C42 Cl7 111.8(3) . . ?
Cl8 C42 Cl6 110.4(3) . . ?
Cl8 C42 H42 108.3 . . ?
Cl7 C42 H42 108.3 . . ?
Cl6 C42 Cl7 109.7(3) . . ?
Cl6 C42 H42 108.3 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C5 C4 H4 119.9 . . ?
C3 C4 C5 120.2(4) . . ?
C3 C4 H4 119.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Cl4 C41 Cl5 108.2(4) . . ?
Cl4 C41 H41 109.0 . . ?
Cl3 C41 Cl4 109.7(4) . . ?
Cl3 C41 Cl5 111.9(4) . . ?
Cl3 C41 H41 109.0 . . ?
Cl5 C41 H41 109.0 . . ?
C25 C24 H24 120.2 . . ?
C23 C24 C25 119.6(4) . . ?
C23 C24 H24 120.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt2 O2 C37 C36 -6.6(6) . . . . ?
Pt2 O2 C37 C38 173.2(3) . . . . ?
Pt2 N3 C29 C30 -16.5(4) . . . . ?
Pt2 N3 C29 C28 163.8(3) . . . . ?
Pt2 N3 C21 C22 -161.2(3) . . . . ?
Pt2 N3 C21 C40 21.1(5) . . . . ?
Pt2 N4 C30 C29 15.9(4) . . . . ?
Pt2 N4 C30 C31 -159.1(3) . . . . ?
Pt2 N4 C35 C36 8.0(5) . . . . ?
Pt2 N4 C35 C34 -171.9(3) . . . . ?
Pt1 N1 C9 C10 -14.8(4) . . . . ?
Pt1 N1 C9 C8 165.0(3) . . . . ?
Pt1 N1 C1 C2 -165.6(3) . . . . ?
Pt1 N1 C1 C20 15.6(5) . . . . ?
Pt1 N2 C10 C9 22.6(4) . . . . ?
Pt1 N2 C10 C11 -154.3(3) . . . . ?
Pt1 N2 C15 C16 1.7(5) . . . . ?
Pt1 N2 C15 C14 -177.3(3) . . . . ?
Pt1 O1 C17 C16 -15.7(6) . . . . ?
Pt1 O1 C17 C18 163.8(3) . . . . ?
N1 C9 C10 N2 -5.0(5) . . . . ?
N1 C9 C10 C11 172.3(3) . . . . ?
N1 C9 C8 C7 5.1(5) . . . . ?
N1 C9 C8 C13 -173.6(3) . . . . ?
N1 C1 C2 C7 -3.5(6) . . . . ?
N1 C1 C2 C3 172.4(4) . . . . ?
N2 C10 C11 C12 -179.1(4) . . . . ?
N2 C15 C16 C17 11.3(7) . . . . ?
N3 C29 C30 N4 0.6(5) . . . . ?
N3 C29 C30 C31 176.1(3) . . . . ?
N3 C29 C28 C33 -177.3(3) . . . . ?
N3 C29 C28 C27 1.5(5) . . . . ?
N3 C21 C22 C27 -4.0(6) . . . . ?
N3 C21 C22 C23 173.1(4) . . . . ?
N4 C30 C31 C32 178.2(4) . . . . ?
N4 C35 C36 C37 6.0(7) . . . . ?
C9 N1 C1 C2 11.8(5) . . . . ?
C9 N1 C1 C20 -167.0(3) . . . . ?
C9 C10 C11 C12 4.0(6) . . . . ?
C9 C8 C7 C6 -177.1(4) . . . . ?
C9 C8 C7 C2 3.1(5) . . . . ?
C9 C8 C13 C12 -1.2(6) . . . . ?
C10 N2 C15 C16 -172.0(4) . . . . ?
C10 N2 C15 C14 9.1(6) . . . . ?
C10 C9 C8 C7 -175.1(3) . . . . ?
C10 C9 C8 C13 6.2(5) . . . . ?
C10 C11 C12 C13 0.8(6) . . . . ?
C10 C11 C12 C19 179.8(4) . . . . ?
C1 N1 C9 C10 167.3(3) . . . . ?
C1 N1 C9 C8 -12.9(5) . . . . ?
C1 C2 C7 C6 176.2(4) . . . . ?
C1 C2 C7 C8 -4.0(5) . . . . ?
C1 C2 C3 C4 -174.4(4) . . . . ?
C29 N3 C21 C22 11.2(5) . . . . ?
C29 N3 C21 C40 -166.5(3) . . . . ?
C29 C30 C31 C32 3.4(6) . . . . ?
C29 C28 C33 C32 -0.9(5) . . . . ?
C29 C28 C27 C22 5.6(5) . . . . ?
C29 C28 C27 C26 -175.8(4) . . . . ?
C30 N4 C35 C36 -165.9(4) . . . . ?
C30 N4 C35 C34 14.2(6) . . . . ?
C30 C29 C28 C33 3.0(5) . . . . ?
C30 C29 C28 C27 -178.2(3) . . . . ?
C21 N3 C29 C30 169.6(3) . . . . ?
C21 N3 C29 C28 -10.1(5) . . . . ?
C21 C22 C23 C24 -175.4(4) . . . . ?
C6 C5 C4 C3 0.3(8) . . . . ?
C15 N2 C10 C9 -163.0(4) . . . . ?
C15 N2 C10 C11 20.0(6) . . . . ?
C15 C16 C17 O1 -3.1(7) . . . . ?
C15 C16 C17 C18 177.5(4) . . . . ?
C8 C9 C10 N2 175.2(3) . . . . ?
C8 C9 C10 C11 -7.6(5) . . . . ?
C8 C13 C12 C11 -2.2(6) . . . . ?
C8 C13 C12 C19 178.8(4) . . . . ?
C35 N4 C30 C29 -169.6(4) . . . . ?
C35 N4 C30 C31 15.4(6) . . . . ?
C35 C36 C37 O2 -6.9(8) . . . . ?
C35 C36 C37 C38 173.3(5) . . . . ?
C2 C3 C4 C5 -1.8(7) . . . . ?
C7 C6 C5 C4 1.5(7) . . . . ?
C7 C8 C13 C12 -179.8(4) . . . . ?
C7 C2 C3 C4 1.5(6) . . . . ?
C28 C29 C30 N4 -179.6(3) . . . . ?
C28 C29 C30 C31 -4.2(5) . . . . ?
C28 C33 C32 C39 179.5(4) . . . . ?
C28 C33 C32 C31 0.1(6) . . . . ?
C28 C27 C22 C21 -4.5(5) . . . . ?
C28 C27 C22 C23 178.3(4) . . . . ?
C28 C27 C26 C25 -179.6(4) . . . . ?
C33 C28 C27 C22 -175.7(4) . . . . ?
C33 C28 C27 C26 3.0(6) . . . . ?
C33 C32 C31 C30 -1.4(6) . . . . ?
C20 C1 C2 C7 175.3(4) . . . . ?
C20 C1 C2 C3 -8.8(6) . . . . ?
C27 C28 C33 C32 -179.7(4) . . . . ?
C27 C22 C23 C24 1.6(6) . . . . ?
C27 C26 C25 C24 1.1(7) . . . . ?
C22 C27 C26 C25 -1.0(6) . . . . ?
C22 C23 C24 C25 -1.5(7) . . . . ?
C14 C15 C16 C17 -169.7(4) . . . . ?
C13 C8 C7 C6 1.5(6) . . . . ?
C13 C8 C7 C2 -178.3(4) . . . . ?
C40 C21 C22 C27 173.7(3) . . . . ?
C40 C21 C22 C23 -9.2(5) . . . . ?
C26 C27 C22 C21 176.8(4) . . . . ?
C26 C27 C22 C23 -0.4(6) . . . . ?
C26 C25 C24 C23 0.2(7) . . . . ?
C5 C6 C7 C8 178.5(4) . . . . ?
C5 C6 C7 C2 -1.8(6) . . . . ?
C39 C32 C31 C30 179.2(4) . . . . ?
C34 C35 C36 C37 -174.1(4) . . . . ?
C3 C2 C7 C6 0.3(6) . . . . ?
C3 C2 C7 C8 -179.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 2100578'
loop_
_audit_author_name
_audit_author_address
'David Herbert'
;University of Manitoba
Canada
;
_audit_update_record             
;
2021-07-30 deposited with the CCDC.	2021-10-27 downloaded from the CCDC.
;
_audit_creation_date             2021-07-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H14 Cl F3 N2 O Pt'
_chemical_formula_sum            'C19 H14 Cl F3 N2 O Pt'
_chemical_formula_weight         573.86
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.5576(6)
_cell_length_b                   11.5940(7)
_cell_length_c                   15.7469(10)
_cell_angle_alpha                90
_cell_angle_beta                 105.381(2)
_cell_angle_gamma                90
_cell_volume                     1682.43(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.68
_shelx_estimated_absorpt_T_max   0.675
_shelx_estimated_absorpt_T_min   0.482
_exptl_absorpt_coefficient_mu    8.543
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1187 before and 0.0872 after correction.
The Ratio of minimum to maximum transmission is 0.7165.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.266
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            40565
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_reduction_process narrow--frame
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.553
_diffrn_reflns_theta_min         2.683
_diffrn_ambient_temperature      150.2
_diffrn_ambient_temp_esd         2.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 QUEST ECO CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'TRIUMPH curved--crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine--focus tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3206
_reflns_number_total             3880
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.469
_refine_diff_density_min         -2.433
_refine_diff_density_rms         0.227
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         3880
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0436
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+24.3902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0844
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C11(H11), C13(H13), C3(H3), C16(H16), C6(H6), C4(H4), C5(H5)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.06214(3) 0.59970(2) 0.42983(2) 0.01679(9) Uani 1 1 d . . . . .
Cl1 Cl -0.04496(19) 0.52314(16) 0.29094(11) 0.0220(4) Uani 1 1 d . . . . .
O1 O -0.0842(5) 0.7243(4) 0.3947(3) 0.0226(11) Uani 1 1 d . . . . .
F3 F 0.6360(5) 0.7056(4) 0.7896(3) 0.0352(12) Uani 1 1 d . . . . .
N1 N 0.2092(6) 0.4752(5) 0.4662(4) 0.0166(12) Uani 1 1 d . . . . .
F1 F 0.5986(6) 0.5502(5) 0.8522(3) 0.0416(13) Uani 1 1 d . . . . .
F2 F 0.7580(5) 0.5549(5) 0.7797(3) 0.0400(13) Uani 1 1 d . . . . .
N2 N 0.1599(6) 0.6617(5) 0.5490(4) 0.0174(12) Uani 1 1 d . . . . .
C9 C 0.3097(7) 0.4974(6) 0.5460(5) 0.0166(14) Uani 1 1 d . . . . .
C10 C 0.2863(7) 0.5976(6) 0.5911(4) 0.0165(13) Uani 1 1 d . . . . .
C15 C 0.1056(8) 0.7490(6) 0.5840(5) 0.0198(15) Uani 1 1 d . . . . .
C1 C 0.2204(7) 0.3843(6) 0.4209(4) 0.0183(15) Uani 1 1 d . . . . .
H1 H 0.148567 0.370770 0.367219 0.022 Uiso 1 1 calc R U . . .
C11 C 0.3933(8) 0.6284(6) 0.6667(5) 0.0207(16) Uani 1 1 d . . . . .
H11 H 0.384039 0.697434 0.697268 0.025 Uiso 1 1 calc R U . . .
C8 C 0.4300(8) 0.4257(6) 0.5769(5) 0.0176(14) Uani 1 1 d . . . . .
C12 C 0.5135(8) 0.5578(7) 0.6970(5) 0.0192(15) Uani 1 1 d . . . . .
C7 C 0.4463(8) 0.3235(6) 0.5267(5) 0.0203(15) Uani 1 1 d . . . . .
C13 C 0.5331(8) 0.4570(6) 0.6547(5) 0.0207(15) Uani 1 1 d . . . . .
H13 H 0.615326 0.409563 0.678114 0.025 Uiso 1 1 calc R U . . .
C14 C 0.1543(9) 0.7794(7) 0.6804(5) 0.0297(18) Uani 1 1 d . . . . .
H14A H 0.176687 0.708587 0.715394 0.044 Uiso 1 1 calc R U . . .
H14B H 0.076626 0.821364 0.697131 0.044 Uiso 1 1 calc R U . . .
H14C H 0.241127 0.827967 0.691410 0.044 Uiso 1 1 calc R U . . .
C2 C 0.3368(8) 0.3033(6) 0.4485(5) 0.0202(15) Uani 1 1 d . . . . .
C19 C 0.6255(8) 0.5909(7) 0.7788(5) 0.0246(16) Uani 1 1 d . . . . .
C17 C -0.0911(8) 0.8063(7) 0.4477(5) 0.0249(17) Uani 1 1 d . . . . .
C3 C 0.3454(8) 0.2052(6) 0.3977(5) 0.0217(15) Uani 1 1 d . . . . .
H3 H 0.269223 0.189473 0.346410 0.026 Uiso 1 1 calc R U . . .
C16 C -0.0104(8) 0.8161(6) 0.5345(5) 0.0214(16) Uani 1 1 d . . . . .
H16 H -0.037768 0.878419 0.565851 0.026 Uiso 1 1 calc R U . . .
C18 C -0.2064(8) 0.8947(7) 0.4103(5) 0.0254(16) Uani 1 1 d . . . . .
H18A H -0.192968 0.924562 0.354829 0.038 Uiso 1 1 calc R U . . .
H18B H -0.199011 0.958232 0.452351 0.038 Uiso 1 1 calc R U . . .
H18C H -0.302413 0.858818 0.399524 0.038 Uiso 1 1 calc R U . . .
C6 C 0.5642(8) 0.2484(6) 0.5496(5) 0.0240(16) Uani 1 1 d . . . . .
H6 H 0.640093 0.262236 0.601327 0.029 Uiso 1 1 calc R U . . .
C4 C 0.4614(9) 0.1323(7) 0.4208(5) 0.0265(17) Uani 1 1 d . . . . .
H4 H 0.467619 0.067349 0.385175 0.032 Uiso 1 1 calc R U . . .
C5 C 0.5715(9) 0.1548(7) 0.4980(6) 0.0264(17) Uani 1 1 d . . . . .
H5 H 0.652359 0.104170 0.514660 0.032 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.3305(18) . ?
Pt1 O1 1.985(5) . ?
Pt1 N1 1.990(6) . ?
Pt1 N2 1.995(6) . ?
O1 C17 1.278(9) . ?
F3 C19 1.341(9) . ?
N1 C9 1.388(9) . ?
N1 C1 1.293(9) . ?
F1 C19 1.336(9) . ?
F2 C19 1.329(9) . ?
N2 C10 1.423(9) . ?
N2 C15 1.323(9) . ?
C9 C10 1.411(10) . ?
C9 C8 1.397(9) . ?
C10 C11 1.394(10) . ?
C15 C14 1.507(10) . ?
C15 C16 1.409(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.433(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(10) . ?
C8 C7 1.456(10) . ?
C8 C13 1.401(10) . ?
C12 C13 1.382(10) . ?
C12 C19 1.490(10) . ?
C7 C2 1.408(10) . ?
C7 C6 1.394(10) . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C2 C3 1.406(10) . ?
C17 C16 1.384(11) . ?
C17 C18 1.506(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.365(11) . ?
C16 H16 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C6 H6 0.9500 . ?
C6 C5 1.368(11) . ?
C4 H4 0.9500 . ?
C4 C5 1.406(12) . ?
C5 H5 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Pt1 Cl1 85.07(16) . . ?
O1 Pt1 N1 179.5(2) . . ?
O1 Pt1 N2 96.9(2) . . ?
N1 Pt1 Cl1 95.45(18) . . ?
N1 Pt1 N2 82.6(2) . . ?
N2 Pt1 Cl1 177.97(18) . . ?
C17 O1 Pt1 120.9(5) . . ?
C9 N1 Pt1 113.1(5) . . ?
C1 N1 Pt1 126.0(5) . . ?
C1 N1 C9 120.8(6) . . ?
C10 N2 Pt1 112.2(4) . . ?
C15 N2 Pt1 122.0(5) . . ?
C15 N2 C10 125.7(6) . . ?
N1 C9 C10 116.4(6) . . ?
N1 C9 C8 120.8(6) . . ?
C8 C9 C10 122.7(6) . . ?
C9 C10 N2 115.1(6) . . ?
C11 C10 N2 127.2(7) . . ?
C11 C10 C9 117.5(6) . . ?
N2 C15 C14 123.3(7) . . ?
N2 C15 C16 122.0(7) . . ?
C16 C15 C14 114.6(6) . . ?
N1 C1 H1 118.7 . . ?
N1 C1 C2 122.5(6) . . ?
C2 C1 H1 118.7 . . ?
C10 C11 H11 120.2 . . ?
C12 C11 C10 119.7(7) . . ?
C12 C11 H11 120.2 . . ?
C9 C8 C7 119.5(7) . . ?
C9 C8 C13 118.3(7) . . ?
C13 C8 C7 122.3(6) . . ?
C11 C12 C19 119.0(7) . . ?
C13 C12 C11 122.6(7) . . ?
C13 C12 C19 118.4(7) . . ?
C2 C7 C8 116.6(6) . . ?
C6 C7 C8 124.4(7) . . ?
C6 C7 C2 119.0(7) . . ?
C8 C13 H13 120.4 . . ?
C12 C13 C8 119.1(7) . . ?
C12 C13 H13 120.4 . . ?
C15 C14 H14A 109.5 . . ?
C15 C14 H14B 109.5 . . ?
C15 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 C2 C1 119.6(7) . . ?
C3 C2 C1 121.0(7) . . ?
C3 C2 C7 119.4(7) . . ?
F3 C19 C12 112.2(6) . . ?
F1 C19 F3 105.3(6) . . ?
F1 C19 C12 113.5(7) . . ?
F2 C19 F3 105.7(6) . . ?
F2 C19 F1 106.4(6) . . ?
F2 C19 C12 113.1(6) . . ?
O1 C17 C16 126.5(7) . . ?
O1 C17 C18 114.2(7) . . ?
C16 C17 C18 119.2(7) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(7) . . ?
C4 C3 H3 119.5 . . ?
C15 C16 H16 114.7 . . ?
C17 C16 C15 130.7(7) . . ?
C17 C16 H16 114.7 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C7 C6 H6 119.8 . . ?
C5 C6 C7 120.5(7) . . ?
C5 C6 H6 119.8 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 119.0(7) . . ?
C5 C4 H4 120.5 . . ?
C6 C5 C4 121.1(7) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 O1 C17 C16 -4.8(10) . . . . ?
Pt1 O1 C17 C18 179.1(5) . . . . ?
Pt1 N1 C9 C10 4.6(7) . . . . ?
Pt1 N1 C9 C8 -172.8(5) . . . . ?
Pt1 N1 C1 C2 174.7(5) . . . . ?
Pt1 N2 C10 C9 -6.4(7) . . . . ?
Pt1 N2 C10 C11 167.7(6) . . . . ?
Pt1 N2 C15 C14 164.6(6) . . . . ?
Pt1 N2 C15 C16 -10.9(9) . . . . ?
O1 C17 C16 C15 6.7(14) . . . . ?
N1 C9 C10 N2 1.2(9) . . . . ?
N1 C9 C10 C11 -173.5(6) . . . . ?
N1 C9 C8 C7 -3.0(10) . . . . ?
N1 C9 C8 C13 175.5(6) . . . . ?
N1 C1 C2 C7 -1.7(11) . . . . ?
N1 C1 C2 C3 179.9(7) . . . . ?
N2 C10 C11 C12 -177.2(7) . . . . ?
N2 C15 C16 C17 2.5(13) . . . . ?
C9 N1 C1 C2 -1.4(10) . . . . ?
C9 C10 C11 C12 -3.2(10) . . . . ?
C9 C8 C7 C2 -0.1(10) . . . . ?
C9 C8 C7 C6 177.6(7) . . . . ?
C9 C8 C13 C12 -1.1(10) . . . . ?
C10 N2 C15 C14 -11.8(11) . . . . ?
C10 N2 C15 C16 172.7(7) . . . . ?
C10 C9 C8 C7 179.8(6) . . . . ?
C10 C9 C8 C13 -1.7(10) . . . . ?
C10 C11 C12 C13 0.5(11) . . . . ?
C10 C11 C12 C19 -178.9(7) . . . . ?
C15 N2 C10 C9 170.4(6) . . . . ?
C15 N2 C10 C11 -15.5(11) . . . . ?
C1 N1 C9 C10 -178.8(6) . . . . ?
C1 N1 C9 C8 3.8(10) . . . . ?
C1 C2 C3 C4 175.4(7) . . . . ?
C11 C12 C13 C8 1.7(11) . . . . ?
C11 C12 C19 F3 -30.6(10) . . . . ?
C11 C12 C19 F1 88.6(9) . . . . ?
C11 C12 C19 F2 -150.1(7) . . . . ?
C8 C9 C10 N2 178.5(6) . . . . ?
C8 C9 C10 C11 3.9(10) . . . . ?
C8 C7 C2 C1 2.3(10) . . . . ?
C8 C7 C2 C3 -179.2(6) . . . . ?
C8 C7 C6 C5 -179.3(7) . . . . ?
C7 C8 C13 C12 177.3(6) . . . . ?
C7 C2 C3 C4 -3.0(11) . . . . ?
C7 C6 C5 C4 0.3(12) . . . . ?
C13 C8 C7 C2 -178.5(7) . . . . ?
C13 C8 C7 C6 -0.8(11) . . . . ?
C13 C12 C19 F3 150.0(7) . . . . ?
C13 C12 C19 F1 -90.8(8) . . . . ?
C13 C12 C19 F2 30.5(10) . . . . ?
C14 C15 C16 C17 -173.3(8) . . . . ?
C2 C7 C6 C5 -1.7(11) . . . . ?
C2 C3 C4 C5 1.7(11) . . . . ?
C19 C12 C13 C8 -178.9(7) . . . . ?
C3 C4 C5 C6 -0.3(12) . . . . ?
C18 C17 C16 C15 -177.3(7) . . . . ?
C6 C7 C2 C1 -175.5(7) . . . . ?
C6 C7 C2 C3 2.9(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
